@MOLECULE (2e)-3-(2,4-dichlorophenyl)-n-[(3r)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]acrylamide 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.5414 -1.7606 1.0920 Cl 1 UNL1111111111 -0.0429 2 CL 8.8929 1.1420 0.1371 Cl 1 UNL1111111111 -0.0634 3 O -1.4030 -2.0912 2.0113 O.2 1 UNL1111111111 -0.4675 4 O 0.5451 -0.7459 -1.6963 O.2 1 UNL1111111111 -0.5405 5 N -3.3251 -2.1546 0.8300 N.am 1 UNL1111111111 -0.4803 6 N -2.2700 0.6265 0.3510 N.2 1 UNL1111111111 -0.4237 7 N -0.1154 -0.3224 0.4214 N.am 1 UNL1111111111 -0.5607 8 C -4.1440 -1.7577 -0.2487 C.ar 1 UNL1111111111 0.2332 9 C -4.2623 -0.4091 -0.6318 C.ar 1 UNL1111111111 -0.1920 10 C -1.5055 -0.5909 0.0980 C.3 1 UNL1111111111 0.1471 11 C -3.5180 0.6772 0.0361 C.2 1 UNL1111111111 0.2280 12 C -2.0367 -1.6785 1.0714 C.2 1 UNL1111111111 0.5315 13 C -4.2686 1.9129 0.3463 C.ar 1 UNL1111111111 -0.0473 14 C -4.8832 -2.7374 -0.9400 C.ar 1 UNL1111111111 -0.2347 15 C -5.1009 -0.0673 -1.6997 C.ar 1 UNL1111111111 -0.0668 16 C -3.8035 -3.2493 1.6890 C.3 1 UNL1111111111 -0.2232 17 C -5.7099 -2.3765 -1.9927 C.ar 1 UNL1111111111 -0.0756 18 C -5.8206 -1.0389 -2.3803 C.ar 1 UNL1111111111 -0.1934 19 C -5.5493 1.8195 0.8969 C.ar 1 UNL1111111111 -0.1285 20 C -3.6931 3.1622 0.1052 C.ar 1 UNL1111111111 -0.0974 21 C 0.8448 -0.3919 -0.5713 C.2 1 UNL1111111111 0.6007 22 C -6.2592 2.9798 1.1923 C.ar 1 UNL1111111111 -0.1554 23 C -4.4106 4.3197 0.3988 C.ar 1 UNL1111111111 -0.1639 24 C -5.6917 4.2288 0.9401 C.ar 1 UNL1111111111 -0.1288 25 C 2.2248 -0.0427 -0.1593 C.2 1 UNL1111111111 -0.2512 26 C 3.2116 -0.1156 -1.0597 C.2 1 UNL1111111111 -0.0618 27 C 4.6062 0.1914 -0.7441 C.ar 1 UNL1111111111 -0.0565 28 C 5.3153 -0.5112 0.2307 C.ar 1 UNL1111111111 0.0283 29 C 5.2649 1.2046 -1.4511 C.ar 1 UNL1111111111 -0.1085 30 C 6.6467 -0.2406 0.5237 C.ar 1 UNL1111111111 -0.1960 31 C 6.5961 1.5071 -1.1764 C.ar 1 UNL1111111111 -0.1783 32 C 7.2594 0.7774 -0.1957 C.ar 1 UNL1111111111 0.0359 33 H -1.5883 -0.9502 -0.9759 H 1 UNL1111111111 0.2011 34 H -4.7910 -3.7856 -0.6608 H 1 UNL1111111111 0.1686 35 H -5.1849 0.9818 -1.9962 H 1 UNL1111111111 0.1649 36 H -3.4871 -4.2320 1.2987 H 1 UNL1111111111 0.1469 37 H -4.9015 -3.2239 1.7810 H 1 UNL1111111111 0.1486 38 H -3.3768 -3.1397 2.7079 H 1 UNL1111111111 0.1780 39 H 0.0746 0.0138 1.3548 H 1 UNL1111111111 0.3330 40 H -6.2726 -3.1425 -2.5272 H 1 UNL1111111111 0.1511 41 H -6.4659 -0.7629 -3.2114 H 1 UNL1111111111 0.1590 42 H -5.9874 0.8422 1.0971 H 1 UNL1111111111 0.1581 43 H -2.6815 3.2235 -0.3016 H 1 UNL1111111111 0.1709 44 H -7.2563 2.9116 1.6226 H 1 UNL1111111111 0.1516 45 H -3.9667 5.2950 0.2104 H 1 UNL1111111111 0.1514 46 H -6.2492 5.1344 1.1710 H 1 UNL1111111111 0.1469 47 H 2.3813 0.2554 0.8754 H 1 UNL1111111111 0.1749 48 H 3.0174 -0.4142 -2.1006 H 1 UNL1111111111 0.1872 49 H 4.7276 1.7624 -2.2208 H 1 UNL1111111111 0.1709 50 H 7.1876 -0.8051 1.2863 H 1 UNL1111111111 0.1921 51 H 7.1044 2.3006 -1.7257 H 1 UNL1111111111 0.1785 @BOND 1 1 28 1 2 2 32 1 3 3 12 2 4 4 21 2 5 5 8 1 6 5 12 am 7 5 16 1 8 6 10 1 9 6 11 2 10 7 10 1 11 7 21 am 12 7 39 1 13 8 9 ar 14 8 14 ar 15 9 11 1 16 9 15 ar 17 10 12 1 18 10 33 1 19 11 13 1 20 13 19 ar 21 13 20 ar 22 14 17 ar 23 14 34 1 24 15 18 ar 25 15 35 1 26 16 36 1 27 16 37 1 28 16 38 1 29 17 18 ar 30 17 40 1 31 18 41 1 32 19 22 ar 33 19 42 1 34 20 23 ar 35 20 43 1 36 21 25 1 37 22 24 ar 38 22 44 1 39 23 24 ar 40 23 45 1 41 24 46 1 42 25 26 2 43 25 47 1 44 26 27 1 45 26 48 1 46 27 28 ar 47 27 29 ar 48 28 30 ar 49 29 31 ar 50 29 49 1 51 30 32 ar 52 30 50 1 53 31 32 ar 54 31 51 1